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{
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"results": [
{
"id": "mp-754687",
"created_at": "2022-09-04T14:43:14.035054Z",
"structure_string": "Li4 Mn3 Co2 Sb3 O16\n1.0\n3.048397 5.376703 0.000000\n-3.048397 5.376703 0.000000\n0.000000 0.136752 9.813941\nLi Mn Co Sb O\n4 3 2 3 16\ndirect\n0.662993 0.662993 0.124254 Li\n0.987259 0.987259 0.007285 Li\n0.995258 0.995258 0.493856 Li\n0.326567 0.326567 0.603275 Li\n0.831632 0.831632 0.783039 Mn\n0.169189 0.663291 0.284926 Mn\n0.663291 0.169189 0.284926 Mn\n0.673027 0.673027 0.488470 Co\n0.343111 0.343111 0.018627 Co\n0.337956 0.831125 0.784789 Sb\n0.831125 0.337956 0.784789 Sb\n0.171914 0.171914 0.284937 Sb\n0.320619 0.849088 0.398308 O\n0.514001 0.514001 0.667839 O\n0.653009 0.653009 0.903344 O\n0.012303 0.012303 0.677518 O\n0.010708 0.010708 0.185278 O\n0.849088 0.320619 0.398308 O\n0.511519 0.963419 0.670273 O\n0.963419 0.511519 0.670273 O\n0.154238 0.154238 0.898305 O\n0.846505 0.846505 0.388662 O\n0.035134 0.481036 0.163257 O\n0.481036 0.035134 0.163257 O\n0.325327 0.325327 0.400774 O\n0.164083 0.687197 0.893678 O\n0.478277 0.478277 0.176293 O\n0.687197 0.164083 0.893678 O\n",
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"Mn",
"Co",
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"O"
],
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"density_atomic": 0.08703561851082794,
"volume": 321.7073708336613,
"volume_molar": 6.919168109606524,
"formula_full": "Li4 Mn3 Co2 Sb3 O16",
"formula_reduced": "Li4Mn3Co2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -195.13144029,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.447000Z",
"spacegroup": 8
},
{
"id": "mp-765636",
"created_at": "2022-09-04T14:43:16.241200Z",
"structure_string": "Li4 Mn2 Fe3 Ni3 O16\n1.0\n2.880562 5.069377 0.000000\n-2.880562 5.069377 0.000000\n0.000000 0.280329 9.373977\nLi Mn Fe Ni O\n4 2 3 3 16\ndirect\n0.662182 0.662182 0.104717 Li\n0.996784 0.996784 0.008016 Li\n0.997692 0.997692 0.505236 Li\n0.333774 0.333774 0.599433 Li\n0.672069 0.672069 0.513027 Mn\n0.332203 0.332203 0.015775 Mn\n0.339460 0.830283 0.786788 Fe\n0.830283 0.339460 0.786788 Fe\n0.169272 0.169272 0.286324 Fe\n0.829276 0.829276 0.788827 Ni\n0.167259 0.659404 0.287440 Ni\n0.659404 0.167259 0.287440 Ni\n0.339073 0.844753 0.403824 O\n0.520295 0.520295 0.652238 O\n0.671742 0.671742 0.894288 O\n0.993042 0.993042 0.695967 O\n0.993784 0.993784 0.196685 O\n0.844753 0.339073 0.403824 O\n0.518917 0.960706 0.651381 O\n0.960706 0.518917 0.651381 O\n0.169532 0.169532 0.899996 O\n0.838392 0.838392 0.405040 O\n0.034883 0.468819 0.153413 O\n0.468819 0.034883 0.153413 O\n0.338429 0.338429 0.389102 O\n0.171484 0.663688 0.907546 O\n0.475371 0.475371 0.156593 O\n0.663688 0.171484 0.907546 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Mn",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Mn-Ni-O",
"density": 4.471730719979836,
"density_atomic": 0.10227567036486118,
"volume": 273.76989952851926,
"volume_molar": 5.888145967185002,
"formula_full": "Li4 Mn2 Fe3 Ni3 O16",
"formula_reduced": "Li4Mn2Fe3Ni3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -192.25885266,
"energy_per_atom": -6.866387595,
"energy_above_hull": null,
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"energy_uncorrected": -163.53985266,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 22.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.822000Z",
"spacegroup": 8
},
{
"id": "mp-774896",
"created_at": "2022-09-04T14:43:13.119020Z",
"structure_string": "Li4 Nb3 Co3 Sn2 O16\n1.0\n3.067728 5.268288 0.000000\n-3.067728 5.268288 0.000000\n0.000000 0.089466 10.031997\nLi Nb Co Sn O\n4 3 3 2 16\ndirect\n0.331971 0.331971 0.094441 Li\n0.999970 0.999970 0.002801 Li\n0.978520 0.978520 0.514861 Li\n0.664603 0.664603 0.614812 Li\n0.173994 0.173994 0.779180 Nb\n0.838437 0.346540 0.287355 Nb\n0.346540 0.838437 0.287355 Nb\n0.655656 0.173543 0.788682 Co\n0.173543 0.655656 0.788682 Co\n0.809221 0.809221 0.288753 Co\n0.351802 0.351802 0.517305 Sn\n0.677408 0.677408 0.994051 Sn\n0.679039 0.171384 0.398450 O\n0.485401 0.485401 0.662492 O\n0.321770 0.321770 0.900655 O\n0.006106 0.006106 0.695404 O\n0.006564 0.006564 0.194728 O\n0.171384 0.679039 0.398450 O\n0.469208 0.035613 0.649526 O\n0.035613 0.469208 0.649526 O\n0.845692 0.845692 0.903720 O\n0.173885 0.173885 0.393541 O\n0.959389 0.503608 0.151720 O\n0.503608 0.959389 0.151720 O\n0.647096 0.647096 0.410496 O\n0.846472 0.332987 0.900769 O\n0.517485 0.517485 0.171944 O\n0.332987 0.846472 0.900769 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-Nb-O-Sn",
"density": 5.001536934100187,
"density_atomic": 0.08634839775586335,
"volume": 324.26774239825085,
"volume_molar": 6.97423567374888,
"formula_full": "Li4 Nb3 Co3 Sn2 O16",
"formula_reduced": "Li4Nb3Co3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -208.76898404,
"energy_per_atom": -7.456035144285714,
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"band_gap": 0.5170999999999997,
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"updated_at": "2021-11-28T01:36:14.394000Z",
"spacegroup": 8
},
{
"id": "mp-774791",
"created_at": "2022-09-04T14:43:18.911319Z",
"structure_string": "Li4 Mn3 Cr3 Te2 O16\n1.0\n3.003498 5.251495 0.000000\n-3.003498 5.251495 0.000000\n0.000000 0.306402 9.811990\nLi Mn Cr Te O\n4 3 3 2 16\ndirect\n0.661645 0.661645 0.090256 Li\n0.994820 0.994820 0.014493 Li\n0.003739 0.003739 0.511807 Li\n0.336521 0.336521 0.595616 Li\n0.834276 0.834276 0.788410 Mn\n0.174751 0.659949 0.287562 Mn\n0.659949 0.174751 0.287562 Mn\n0.336950 0.833669 0.786685 Cr\n0.833669 0.336950 0.786685 Cr\n0.172660 0.172660 0.284816 Cr\n0.671618 0.671618 0.517269 Te\n0.329268 0.329268 0.013542 Te\n0.348177 0.837569 0.414620 O\n0.523479 0.523479 0.655528 O\n0.669465 0.669465 0.884235 O\n0.998704 0.998704 0.695376 O\n0.002119 0.002119 0.204034 O\n0.837569 0.348177 0.414620 O\n0.513743 0.962479 0.649280 O\n0.962479 0.513743 0.649280 O\n0.153381 0.153381 0.899130 O\n0.834985 0.834985 0.412847 O\n0.026962 0.468183 0.152026 O\n0.468183 0.026962 0.152026 O\n0.331489 0.331489 0.387220 O\n0.161998 0.679864 0.903630 O\n0.477005 0.477005 0.149973 O\n0.679864 0.161998 0.903630 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Cr",
"Te",
"O"
],
"chemical_system": "Cr-Li-Mn-O-Te",
"density": 4.6124039838903546,
"density_atomic": 0.09046084398875423,
"volume": 309.52618575480966,
"volume_molar": 6.657179498290609,
"formula_full": "Li4 Mn3 Cr3 Te2 O16",
"formula_reduced": "Li4Mn3Cr3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -207.73013317,
"energy_per_atom": -7.4189333275,
"energy_above_hull": null,
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"energy_uncorrected": -185.73713317,
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"updated_at": "2021-11-28T01:36:10.331000Z",
"spacegroup": 8
},
{
"id": "mp-763698",
"created_at": "2022-09-04T14:43:13.418240Z",
"structure_string": "Li4 Nb3 V3 Co2 O16\n1.0\n3.014785 5.263153 0.000000\n-3.014785 5.263153 0.000000\n0.000000 0.001839 9.787387\nLi Nb V Co O\n4 3 3 2 16\ndirect\n0.664375 0.664375 0.100284 Li\n0.007519 0.007519 0.999578 Li\n0.012314 0.012314 0.507733 Li\n0.332879 0.332879 0.615420 Li\n0.828857 0.828857 0.781813 Nb\n0.164694 0.659075 0.284334 Nb\n0.659075 0.164694 0.284334 Nb\n0.342561 0.824292 0.785577 V\n0.824292 0.342561 0.785577 V\n0.169129 0.169129 0.288283 V\n0.657233 0.657233 0.518879 Co\n0.330106 0.330106 0.981123 Co\n0.316493 0.840528 0.393438 O\n0.516288 0.516288 0.669139 O\n0.675962 0.675962 0.902854 O\n0.995525 0.995525 0.687090 O\n0.998579 0.998579 0.179312 O\n0.840528 0.316493 0.393438 O\n0.518677 0.966166 0.663827 O\n0.966166 0.518677 0.663827 O\n0.159018 0.159018 0.890323 O\n0.842409 0.842409 0.401529 O\n0.029733 0.488232 0.173020 O\n0.488232 0.029733 0.173020 O\n0.338817 0.338817 0.403849 O\n0.158495 0.681335 0.897866 O\n0.485659 0.485659 0.167457 O\n0.681335 0.158495 0.897866 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Nb",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-Nb-O-V",
"density": 4.454312889186972,
"density_atomic": 0.09014858904586381,
"volume": 310.5983165832443,
"volume_molar": 6.680238508154783,
"formula_full": "Li4 Nb3 V3 Co2 O16",
"formula_reduced": "Li4Nb3V3(CoO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -227.51001559,
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"updated_at": "2021-11-28T01:36:07.241000Z",
"spacegroup": 8
},
{
"id": "mp-776141",
"created_at": "2022-09-04T14:41:58.085345Z",
"structure_string": "Li4 Fe3 Co2 Sb3 O16\n1.0\n3.027076 5.170992 0.000000\n-3.027076 5.170992 0.000000\n0.000000 0.017829 9.823246\nLi Fe Co Sb O\n4 3 2 3 16\ndirect\n0.666597 0.666597 0.874721 Li\n0.985481 0.985481 0.989394 Li\n0.990074 0.990074 0.506361 Li\n0.331243 0.331243 0.401368 Li\n0.833048 0.833048 0.215397 Fe\n0.662618 0.172452 0.715291 Fe\n0.172452 0.662618 0.715291 Fe\n0.674798 0.674798 0.519017 Co\n0.343213 0.343213 0.975667 Co\n0.832173 0.339342 0.215696 Sb\n0.339342 0.832173 0.215696 Sb\n0.171496 0.171496 0.715130 Sb\n0.843518 0.314750 0.601367 O\n0.512748 0.512748 0.332077 O\n0.668558 0.668558 0.102019 O\n0.999339 0.999339 0.319509 O\n0.001426 0.001426 0.811693 O\n0.314750 0.843518 0.601367 O\n0.968241 0.521029 0.325862 O\n0.521029 0.968241 0.325862 O\n0.157524 0.157524 0.100096 O\n0.842751 0.842751 0.612970 O\n0.486621 0.035907 0.833473 O\n0.035907 0.486621 0.833473 O\n0.336077 0.336077 0.606151 O\n0.688458 0.155445 0.108490 O\n0.483066 0.483066 0.826004 O\n0.155445 0.688458 0.108490 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Fe",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-Fe-Li-O-Sb",
"density": 5.045641094437002,
"density_atomic": 0.09104913515330346,
"volume": 307.52625989093866,
"volume_molar": 6.614165801641339,
"formula_full": "Li4 Fe3 Co2 Sb3 O16",
"formula_reduced": "Li4Fe3Co2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -189.75371142,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:34.020000Z",
"spacegroup": 8
},
{
"id": "mp-774587",
"created_at": "2022-09-04T14:42:03.403571Z",
"structure_string": "Li4 Mn3 Ni3 Sn2 O16\n1.0\n2.905089 5.159385 0.000000\n-2.905089 5.159385 0.000000\n0.000000 0.324587 9.653447\nLi Mn Ni Sn O\n4 3 3 2 16\ndirect\n0.661719 0.661719 0.109358 Li\n0.997308 0.997308 0.006884 Li\n0.002391 0.002391 0.504344 Li\n0.331621 0.331621 0.608797 Li\n0.338640 0.831649 0.784842 Mn\n0.831649 0.338640 0.784842 Mn\n0.169907 0.169907 0.283324 Mn\n0.830478 0.830478 0.784827 Ni\n0.168690 0.662320 0.285737 Ni\n0.662320 0.168690 0.285737 Ni\n0.671903 0.671903 0.506804 Sn\n0.334990 0.334990 0.009714 Sn\n0.325602 0.850453 0.399448 O\n0.516383 0.516383 0.669172 O\n0.654985 0.654985 0.890482 O\n0.009607 0.009607 0.690991 O\n0.002461 0.002461 0.195114 O\n0.850453 0.325602 0.399448 O\n0.503632 0.965776 0.661593 O\n0.965776 0.503632 0.661593 O\n0.159089 0.159089 0.894607 O\n0.848249 0.848249 0.399899 O\n0.027599 0.471877 0.160604 O\n0.471877 0.027599 0.160604 O\n0.331230 0.331230 0.384217 O\n0.167098 0.683484 0.900771 O\n0.479425 0.479425 0.167572 O\n0.683484 0.167098 0.900771 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Mn-Ni-O-Sn",
"density": 4.946764110762976,
"density_atomic": 0.09675830247701994,
"volume": 289.3808519082896,
"volume_molar": 6.223900798001553,
"formula_full": "Li4 Mn3 Ni3 Sn2 O16",
"formula_reduced": "Li4Mn3Ni3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -191.17633004,
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"updated_at": "2021-11-28T01:35:39.017000Z",
"spacegroup": 8
},
{
"id": "mp-761119",
"created_at": "2022-09-04T14:41:57.233118Z",
"structure_string": "Li4 Nb3 Fe2 Ni3 O16\n1.0\n3.028814 5.191479 0.000000\n-3.028814 5.191479 0.000000\n0.000000 0.165883 9.794407\nLi Nb Fe Ni O\n4 3 2 3 16\ndirect\n0.334327 0.334327 0.883702 Li\n0.021634 0.021634 0.986705 Li\n0.007878 0.007878 0.504696 Li\n0.668023 0.668023 0.402114 Li\n0.661108 0.164269 0.215102 Nb\n0.164269 0.661108 0.215102 Nb\n0.824888 0.824888 0.717677 Nb\n0.323532 0.323532 0.511816 Fe\n0.648191 0.648191 0.977981 Fe\n0.173507 0.173507 0.212569 Ni\n0.832396 0.341407 0.712742 Ni\n0.341407 0.832396 0.712742 Ni\n0.664350 0.147887 0.596525 O\n0.488286 0.488286 0.328029 O\n0.343119 0.343119 0.096613 O\n0.997767 0.997767 0.317088 O\n0.004379 0.004379 0.802038 O\n0.147887 0.664350 0.596525 O\n0.489061 0.039026 0.341480 O\n0.039026 0.489061 0.341480 O\n0.841034 0.841034 0.102869 O\n0.161979 0.161979 0.606532 O\n0.967735 0.527926 0.847292 O\n0.527926 0.967735 0.847292 O\n0.664482 0.664482 0.603981 O\n0.827720 0.327601 0.098448 O\n0.520712 0.520712 0.829860 O\n0.327601 0.827720 0.098448 O\n",
"nsites": 28,
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"elements": [
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"Nb",
"Fe",
"Ni",
"O"
],
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"density": 4.583747566113925,
"density_atomic": 0.09090466760832307,
"volume": 308.0149868722073,
"volume_molar": 6.6246771683356585,
"formula_full": "Li4 Nb3 Fe2 Ni3 O16",
"formula_reduced": "Li4Nb3Fe2Ni3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -211.72124045,
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"updated_at": "2021-11-28T01:35:29.704000Z",
"spacegroup": 8
},
{
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{
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{
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{
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"structure_string": "Li8 V6 Sn6 Sb4 O32\n1.0\n3.154745 5.405862 0.025015\n-9.366665 5.349670 -0.023389\n0.039927 0.024316 10.267301\nLi V Sn Sb O\n8 6 6 4 32\ndirect\n0.509893 0.165664 0.891142 Li\n0.002489 0.663681 0.892985 Li\n0.988063 0.003794 0.991443 Li\n0.488141 0.504057 0.993809 Li\n0.994222 0.002421 0.497728 Li\n0.491494 0.502284 0.499021 Li\n0.494492 0.832870 0.398966 Li\n0.000819 0.335418 0.395722 Li\n0.746576 0.084903 0.216449 V\n0.245632 0.584349 0.216863 V\n0.250101 0.414364 0.718671 V\n0.743227 0.914935 0.712642 V\n0.498121 0.669508 0.717046 V\n0.001292 0.168502 0.712646 V\n0.499341 0.331345 0.215869 Sn\n0.001077 0.832364 0.214872 Sn\n0.252880 0.084453 0.215697 Sn\n0.751562 0.582839 0.215367 Sn\n0.247047 0.914288 0.716585 Sn\n0.756653 0.418663 0.714674 Sn\n0.507531 0.164418 0.500513 Sb\n0.994823 0.668324 0.496683 Sb\n0.503230 0.831802 0.991009 Sb\n0.004953 0.331932 0.992547 Sb\n0.497511 0.349305 0.604512 O\n0.986857 0.844946 0.600776 O\n0.268263 0.243650 0.334445 O\n0.775336 0.741286 0.343524 O\n0.497391 0.167295 0.103152 O\n0.994882 0.668106 0.104032 O\n0.499601 0.499447 0.318507 O\n0.000461 0.999955 0.317489 O\n0.997985 0.998270 0.813298 O\n0.502913 0.501157 0.815629 O\n0.229768 0.078251 0.603812 O\n0.722407 0.583466 0.601232 O\n0.732135 0.242112 0.325236 O\n0.228812 0.742446 0.326370 O\n0.503814 0.013565 0.327609 O\n0.000798 0.514137 0.325055 O\n0.230383 0.924002 0.095212 O\n0.730083 0.422428 0.095035 O\n0.775268 0.075047 0.609818 O\n0.286127 0.571876 0.622696 O\n0.505886 0.981560 0.830165 O\n0.014751 0.485950 0.829559 O\n0.275488 0.750624 0.830680 O\n0.782757 0.255953 0.828317 O\n0.487073 0.824246 0.608470 O\n0.013023 0.343350 0.608092 O\n0.768560 0.924469 0.106572 O\n0.269637 0.426199 0.106350 O\n0.713954 0.746525 0.819118 O\n0.241292 0.268520 0.819028 O\n0.496949 0.652397 0.108161 O\n0.996477 0.152581 0.104776 O\n",
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}
]
}